Crystallography Open Database

Information card for entry 8105321

Preview

Coordinates	8105321.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H20 Cl3 F2 N O3 S
Calculated formula	C26 H20 Cl3 F2 N O3 S
Title of publication	Crystal structure and anti-inflammatory activity of (3E,5E)-1-((4-chlorophenyl)sulfonyl)-3,5-bis(4-fluorobenzylidene)piperidin-4-one-dichloromethane (1/1), C26H20Cl3F2NO3S
Authors of publication	Zhang, Li-Xia; Hou, Yun
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	4
Pages of publication	891 - 893
a	8.6281 ± 0.0007 Å
b	11.3695 ± 0.0009 Å
c	14.3529 ± 0.0011 Å
α	68.166 ± 0.007°
β	80.707 ± 0.007°
γ	71.169 ± 0.007°
Cell volume	1235.65 ± 0.19 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0741
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.1271
Weighted residual factors for all reflections included in the refinement	0.1376
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
275577 (current)	2022-05-20	cif/ Adding structures of 8105321 via cif-deposit CGI script.	8105321.cif